2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride

C10H12Cl2FN — CID 170920629

IUPAC2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1C1CCCN1
InChIInChI=1S/C10H11ClFN.ClH/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H
InChIKeyZSSKBYZYFVODKH-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.33
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride

2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride (PubChem CID 170920629) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
PubChem CID170920629
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cc(Cl)ccc1C1CCCN1
InChIInChI=1S/C10H11ClFN.ClH/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H
InChIKeyZSSKBYZYFVODKH-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 171196306
2-(4-chloro-2-methylphenyl)pyrrolidine
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(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
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2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-(4-chloro-2-fluorophenyl)aziridine
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CID 66518510

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride (CID 170920629) is 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1cc(Cl)ccc1C1CCCN1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is ZSSKBYZYFVODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H.
What are the key properties of 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride?
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 170920629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).